tert-butyl 7-[(E)-2-(6-cyanonaphthalen-2-yl)ethenyl]-1-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 7-[(E)-2-(6-cyanonaphthalen-2-yl)ethenyl]-1-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 7-[(E)-2-(6-cyano-2-naphthyl)vinyl]-1-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 7-[(E)-2-(6-cyano-2-naphthalenyl)ethenyl]-1-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[(E)-2-(6-cyanonaphthalen-2-yl)ethenyl]-1-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 7-[(E)-2-(6-cyano-2-naphthyl)vinyl]-1-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C28H28N2O2 MolecularWeight: 424.53412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(CCN1C(=O)OC(C)(C)C)C=CC(=C2)C=CC3=CC4=C(C=C3)C=C(C=C4)C#N

Isomeric SMILES

CC1C2=C(CCN1C(=O)OC(C)(C)C)C=CC(=C2)/C=C/C3=CC4=C(C=C3)C=C(C=C4)C#N

InChI

InChI=1S/C28H28N2O2/c1-19-26-17-21(7-10-23(26)13-14-30(19)27(31)32-28(2,3)4)6-5-20-8-11-25-16-22(18-29)9-12-24(25)15-20/h5-12,15-17,19H,13-14H2,1-4H3/b6-5+